5-(oxan-4-yl)-3-propan-2-yl-1,2,4-oxadiazole

C10H16N2O2 — CID 90326090

IUPAC5-(oxan-4-yl)-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(C2CCOCC2)n1
InChIInChI=1S/C10H16N2O2/c1-7(2)9-11-10(14-12-9)8-3-5-13-6-4-8/h7-8H,3-6H2,1-2H3
InChIKeySOFLMWHRCIBOLD-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.09
Rot. Bonds2

About 5-(oxan-4-yl)-3-propan-2-yl-1,2,4-oxadiazole

5-(oxan-4-yl)-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 90326090) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-(oxan-4-yl)-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(oxan-4-yl)-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID90326090
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name5-(oxan-4-yl)-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(C2CCOCC2)n1
InChIInChI=1S/C10H16N2O2/c1-7(2)9-11-10(14-12-9)8-3-5-13-6-4-8/h7-8H,3-6H2,1-2H3
InChIKeySOFLMWHRCIBOLD-UHFFFAOYSA-N
XLogP2.09
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(oxan-4-yl)-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(oxan-4-yl)-3-propan-2-yl-1,2,4-oxadiazole (CID 90326090) is 5-(oxan-4-yl)-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(oxan-4-yl)-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(oxan-4-yl)-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(C2CCOCC2)n1.
What is the InChIKey of 5-(oxan-4-yl)-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is SOFLMWHRCIBOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7(2)9-11-10(14-12-9)8-3-5-13-6-4-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 5-(oxan-4-yl)-3-propan-2-yl-1,2,4-oxadiazole?
5-(oxan-4-yl)-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 196.25 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-4-yl)-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 90326090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).